butyl 3-cyano-3-oxidanyl-1-azabicyclo[2.2.2]octane-2-carboxylate

Systemtic Name: butyl 3-cyano-3-oxidanyl-1-azabicyclo[2.2.2]octane-2-carboxylate Openeye Name: butyl 3-cyano-3-hydroxy-quinuclidine-2-carboxylate CAS Name: 3-cyano-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylic acid butyl ester IUPAC Name: butyl 3-cyano-3-hydroxy-1-azabicyclo[2.2.2]octane-2-carboxylate Traditional Name: 3-cyano-3-hydroxy-quinuclidine-2-carboxylic acid butyl ester Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(C2CCN1CC2)(C#N)O

Isomeric SMILES

CCCCOC(=O)C1C(C2CCN1CC2)(C#N)O

InChI

InChI=1S/C13H20N2O3/c1-2-3-8-18-12(16)11-13(17,9-14)10-4-6-15(11)7-5-10/h10-11,17H,2-8H2,1H3